Information card for entry 4026823

Structure parameters

• Formula: C20 H27 I O6
• Calculated formula: C20 H27 I O6
• SMILES: I[C@@H]1[C@H](O[C@@H]([C@@H]2OC(O[C@H]12)(C)C)[C@@H]1OC(OC1)(C)C)c1ccc(OC)cc1
• Title of publication: Unexpected Anomeric Selectivity of a 1-C-Arylglycal Donor in Kdo Glycoside Synthesis
• Authors of publication: Yuxin Qian; Jianhao Feng; Masood Parvez; Chang-Chun Ling
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 96 - 107
• a: 12.6964 ± 0.0003 Å
• b: 10.2021 ± 0.0003 Å
• c: 16.7996 ± 0.0003 Å
• α: 90°
• β: 99.8944 ± 0.0014°
• γ: 90°
• Cell volume: 2143.68 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No